4-methyl-N-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl]benzene-1-sulfonamide
4-methyl-N-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8013-0064 |
| Compound Name: | 4-methyl-N-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 311.32 |
| Molecular Formula: | C11 H13 N5 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCn1cnc(n1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3259 |
| logD: | 1.3258 |
| logSw: | -2.4892 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.484 |
| InChI Key: | QWTPQAZRLVPBBG-UHFFFAOYSA-N |